CAS RN: 1256790-78-9
6-bromo-5-chloronicotinonitrile
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250223 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1256790-78-9
- Purity/Analytical Methods: >99.0%
1256790-78-9 / 6-bromo-5-chloropyridine-3-carbonitrile
Basic Information
CAS
1256790-78-9
Multi CAS
No
Molecular Formula
C6H2BrClN2
Molecular Weight
217.450000
Exact Mass
215.908990
SMILES
C1=C(C=NC(=C1Cl)Br)C#N
InChI
InChI=1S/C6H2BrClN2/c7-6-5(8)1-4(2-9)3-10-6/h1,3H
InChIKey
YZLPUJKXILCLEP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
41.66
TPSA
36.68
LogP / Solubility
WLOGP
2.37
MLOGP
2.09
XLogP3
2.2
Consensus LogP
2.22
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.04
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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3-fluoro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
- CAS RN: 1256790-95-0
- Product Code: starshine_CAS1256790-95-0
- Purity/Analytical method: >99.0%
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![CAS 1256790-95-0 3-fluoro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1256790-95-0.gif)
